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8IGF
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BU of 8igf by Molmil
Crystal Structure of Human Carbonic Anhydrase II In-complex with 4-Acetylphenylboronic acid at 2.6 A Resolution
Descriptor: (4-ethanoylphenyl)boronic acid, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Rasheed, S, Huda, N, Fisher, S.Z, Falke, S, Gul, S, Ahmad, M.S, Choudhary, M.I.
Deposit date:2023-02-20
Release date:2024-02-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification, crystallization, and first X-ray structure analyses of phenyl boronic acid-based inhibitors of human carbonic anhydrase-II.
Int.J.Biol.Macromol., 267, 2024
8DE8
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BU of 8de8 by Molmil
Cryo-EM structure of the zebrafish two pore domain K+ channel TREK1 (K2P2.1) in DDM/POPA mixed micelles
Descriptor: (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, POTASSIUM ION, Potassium channel, ...
Authors:Schmidpeter, P.A.M, Nimigean, C.M, Riegelhaupt, P.M.
Deposit date:2022-06-20
Release date:2023-03-08
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Membrane phospholipids control gating of the mechanosensitive potassium leak channel TREK1.
Nat Commun, 14, 2023
8R49
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BU of 8r49 by Molmil
Plastidial phosphorylase Pho1 from Solanum tuberosum in complex with beta cyclodextrin
Descriptor: Alpha-1,4 glucan phosphorylase L-1 isozyme, chloroplastic/amyloplastic, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ...
Authors:Koulas, S.M, Leonidas, D.D.
Deposit date:2023-11-13
Release date:2024-10-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Kinetic and Structural Studies of the Plastidial Solanum tuberosum Phosphorylase.
Acs Omega, 9, 2024
8R6K
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BU of 8r6k by Molmil
Crystal structure of Candida glabrata Bdf1 bromodomain 1 bound to a phenyltriazine ligand
Descriptor: 6-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1,2,4-triazin-5-amine, Candida glabrata strain CBS138 chromosome C complete sequence, PHOSPHATE ION, ...
Authors:Petosa, C, Wei, K, McKenna, C.E, Govin, J.
Deposit date:2023-11-22
Release date:2024-10-30
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Humanized Candida and NanoBiT Assays Expedite Discovery of Bdf1 Bromodomain Inhibitors With Antifungal Potential.
Adv Sci, 12, 2025
6WK8
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BU of 6wk8 by Molmil
Crystal structure of Gdx-Clo from Small Multidrug Resistance family of transporters in complex with phenylguanidinium
Descriptor: 1-phenylguanidine, DECYL-BETA-D-MALTOPYRANOSIDE, Dodecyldimethylphosphine oxide, ...
Authors:Kermani, A.A, Stockbridge, R.B.
Deposit date:2020-04-15
Release date:2020-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:The structural basis of promiscuity in small multidrug resistance transporters.
Nat Commun, 11, 2020
9B26
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BU of 9b26 by Molmil
Crystal structure of cod allergen Gad m 1.0201 coordinating lanthanum
Descriptor: CHLORIDE ION, LANTHANUM (III) ION, MALONATE ION, ...
Authors:O'Malley, A, Chruszcz, M.
Deposit date:2024-03-14
Release date:2024-12-04
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Comparative studies of seafood and reptile alpha- and beta-parvalbumins.
Protein Sci., 33, 2024
9B2Z
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BU of 9b2z by Molmil
Actin-bound Legionella pneumophila AMPylase LnaB with AMPylated catalytic histidine
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Zhang, Z, Das, C.
Deposit date:2024-03-18
Release date:2025-01-08
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Cryo-EM Detection of AMPylated Histidine Implies Covalent Catalysis in AMPylation Mediated by a Bacterial Effector.
J.Mol.Biol., 437, 2024
7REK
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BU of 7rek by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-086
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-07-13
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-086
To Be Published
6NRP
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BU of 6nrp by Molmil
Putative short-chain dehydrogenase/reductase (SDR) from Acinetobacter baumannii
Descriptor: 3-oxoacyl-ACP reductase FabG
Authors:Cross, E.M, Smith, K.M, Shaw, K.I, Aragao, D, Forwood, J.K.
Deposit date:2019-01-23
Release date:2019-02-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into Acinetobacter baumannii fatty acid synthesis 3-oxoacyl-ACP reductases.
Sci Rep, 11, 2021
9LTK
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BU of 9ltk by Molmil
Crystal structur of Lpg1618(R215F) from Legionella pneumophila
Descriptor: Beta-lactamase, GLYCEROL, SULFATE ION
Authors:Liu, T, Gao, J, Ge, H.
Deposit date:2025-02-06
Release date:2025-06-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and molecular characterization of AmpS, a class D beta-lactamase from Legionella pneumophila.
Int.J.Biol.Macromol., 312, 2025
6PU0
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BU of 6pu0 by Molmil
Pigeon Cryptochrome4 bound to flavin adenine dinucleotide
Descriptor: 1,2-ETHANEDIOL, Cryptochrome-1, DI(HYDROXYETHYL)ETHER, ...
Authors:Zoltowski, B.D, Chelliah, Y, Wickramaratne, A.C, Jarocha, L, Karki, N, Mouritsen, H, Hore, P.J, Hibbs, R.E, Green, C.B, Takahashi, J.S.
Deposit date:2019-07-16
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8979 Å)
Cite:Chemical and structural analysis of a photoactive vertebrate cryptochrome from pigeon.
Proc.Natl.Acad.Sci.USA, 116, 2019
5IMP
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BU of 5imp by Molmil
Crystal structure of N299A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium
Descriptor: (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ...
Authors:Chen, M, Christianson, D.W.
Deposit date:2016-03-06
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.038 Å)
Cite:Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016
8RAL
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BU of 8ral by Molmil
CL3E peptide bound to the I-Ab murine MHC class II receptor
Descriptor: 1,2-ETHANEDIOL, CL3E peptide, H-2 class II histocompatibility antigen, ...
Authors:Erausquin, E, Urdiciain, A, Serra, P, Santamaria, P, Lopez-Sagaseta, J.
Deposit date:2023-12-01
Release date:2024-11-06
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:CL3E peptide bound to the I-Ab murine MHC class II receptor
To be published
9GST
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BU of 9gst by Molmil
LN02-ML85 Fab in complex with crosslinked DS-SOSIP HIV-1 Env trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Pedenko, B, Effantin, G, Weissenhorn, W.
Deposit date:2024-09-16
Release date:2025-09-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of LN02-ML85 Fab in complex with DS-SOSIP
To Be Published
9GSW
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BU of 9gsw by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with iminosugar compound 4d
Descriptor: (2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-2-(2-trimethylsilylethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sulzenbacher, G, Roig-Zamboni, V, Moracci, M, Parenti, G, Py, S.
Deposit date:2024-09-16
Release date:2025-09-24
Last modified:2025-10-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:C -Branched Iminosugars as Selective Pharmacological Chaperones of Lysosomal alpha-Glucosidase for the Treatment of Pompe Disease.
J.Med.Chem., 68, 2025
7RJ1
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BU of 7rj1 by Molmil
Crystal structure of Aro7p chorismate mutase from Candida albicans, complex with L-Trp
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Chorismate mutase, ...
Authors:Stogios, P.J, Evdokimova, E, Tan, K, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-20
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of Aro7p chorismate mutase from Candida albicans, complex with L-Trp
To Be Published
7RIN
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BU of 7rin by Molmil
Apo PTP1B by Native S-SAD at Room Temperature
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Greisman, J.B, Dalton, K.M, Hekstra, D.R.
Deposit date:2021-07-20
Release date:2021-07-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Native SAD phasing at room temperature.
Acta Crystallogr D Struct Biol, 78, 2022
6PWC
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BU of 6pwc by Molmil
A complex structure of arrestin-2 bound to neurotensin receptor 1
Descriptor: Beta-arrestin-1, Fab30 heavy chain, Fab30 light chain, ...
Authors:Yin, W, Li, Z, Jin, M, Yin, Y.-L, de Waal, P.W, Pal, K, Gao, X, He, Y, Gao, J, Wang, X, Zhang, Y, Zhou, H, Melcher, K, Jiang, Y, Cong, Y, Zhou, X.E, Yu, X, Xu, H.E.
Deposit date:2019-07-22
Release date:2019-12-04
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:A complex structure of arrestin-2 bound to a G protein-coupled receptor.
Cell Res., 29, 2019
8D5T
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BU of 8d5t by Molmil
Crystal structure of hen egg white lysozyme at 100 Kelvin (Duplicate)
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:Ribeiro, F.S, Lima, L.M.T.R.
Deposit date:2022-06-06
Release date:2023-05-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Linking B-factor and temperature-induced conformational transition.
Biophys.Chem., 298, 2023
8D69
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BU of 8d69 by Molmil
Crystal structure of hen egg white lysozyme at 175 Kelvin
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:Ribeiro, F.S, Lima, L.M.T.R.
Deposit date:2022-06-06
Release date:2023-05-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Linking B-factor and temperature-induced conformational transition.
Biophys.Chem., 298, 2023
9GSV
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BU of 9gsv by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with iminosugar compound 4c
Descriptor: (2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-2-(2-phenylethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sulzenbacher, G, Roig-Zamboni, V, Moracci, M, Parenti, G, Py, S.
Deposit date:2024-09-16
Release date:2025-09-24
Last modified:2025-10-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:C -Branched Iminosugars as Selective Pharmacological Chaperones of Lysosomal alpha-Glucosidase for the Treatment of Pompe Disease.
J.Med.Chem., 68, 2025
7RNV
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BU of 7rnv by Molmil
SH2 domain of guanine nucleotide exchange factor Vav2 in complex with an actin peptide with phosphorylated tyrosine 53
Descriptor: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2021-07-29
Release date:2021-08-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
8D7L
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BU of 8d7l by Molmil
Crystal structure of hen egg white lysozyme at 250 Kelvin (Duplicate)
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:Ribeiro, F.S, Lima, L.M.T.R.
Deposit date:2022-06-07
Release date:2023-05-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Linking B-factor and temperature-induced conformational transition.
Biophys.Chem., 298, 2023
7RNS
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BU of 7rns by Molmil
nSH2 domain of p85-alpha subunit of phosphatidylinositol 3-kinase in complex with an actin peptide with phosphorylated tyrosine 53
Descriptor: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2021-07-29
Release date:2021-08-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
8D77
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BU of 8d77 by Molmil
Crystal structure of hen egg white lysozyme at 200 Kelvin (Duplicate)
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:Ribeiro, F.S, Lima, L.M.T.R.
Deposit date:2022-06-07
Release date:2023-05-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Linking B-factor and temperature-induced conformational transition.
Biophys.Chem., 298, 2023

245011

數據於2025-11-19公開中

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